ChemSpider 2D Image | [4-(2-Phenoxyethyl)-1-piperazinyl][3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]methanone | C17H20N8O2

[4-(2-Phenoxyethyl)-1-piperazinyl][3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]methanone

  • Molecular FormulaC17H20N8O2
  • Average mass368.393 Da
  • Monoisotopic mass368.170929 Da
  • ChemSpider ID29455893

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[4-(2-Phenoxyethyl)-1-piperazinyl][3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]methanon [German] [ACD/IUPAC Name]
[4-(2-Phenoxyethyl)-1-piperazinyl][3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]methanone [ACD/IUPAC Name]
[4-(2-Phénoxyéthyl)-1-pipérazinyl][3-(1H-tétrazol-1-yl)-1H-pyrazol-4-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(2-phenoxyethyl)-1-piperazinyl][3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]- [ACD/Index Name]
1-(2-phenoxyethyl)-4-{[3-(1H-tetrazol-1-yl)-1H-pyrazol-4-yl]carbonyl}piperazine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 673.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.1±34.3 °C
Index of Refraction: 1.726
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.95
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.22
Polar Surface Area: 105 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 251.8±7.0 cm3

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